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BDBM50247743 CHEMBL504206::[(1R,2R,6R,10S,11R,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(4-methanesulfonamidophenyl)acetate

SMILES: C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C

InChI Key: InChIKey=GYTMPLYSWIONAO-ARGYEFFCSA-N

Data: 1 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247743   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247743
PNG
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.81n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247743
PNG
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.78n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair